Physics – Condensed Matter
Scientific paper
1997-10-12
JETP Letters, 67(12),1052-1058, June 25 1998
Physics
Condensed Matter
4 Pages, 3 Figures, REVTEX
Scientific paper
10.1134/1.567791
The ground state energies of infinite half-filled Hubbard-Peierls chains are investigated combining incremental expansion with exact diagonalization of finite chain segments. The ground state energy of equidistant infinite Hubbard (Heisenberg) chains is calculated with a relative error of less than $3 \cdot 10^{-3}$ for all values of $U$ using diagonalizations of 12-site (20-site) chain segm ents. For dimerized chains the dimerization order parameter $d$ as a function of the onsite repulsion interaction $U$ has a maximum at nonzero values of $U$, if the electron-phonon coupling $g$ is lower than a critical value $g_c$. The critical value $g_c$ is found with high accuracy to be $g_c=0.69$. For smaller values of $g$ the position of the maximum of $d(U)$ is approximately $3t$, and rapidly tends to zero as $g$ approaches $g_c$ from below. We show how our method can be applied to calculate breathers for the problem of phonon dynamics in Hubbard-Peierls systems.
Flach Sergej
Kladko Konstantin
Malek Jiri
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